2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

C18H21N3O2 — CID 71898311

IUPAC2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cccnc1N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-18(20-15-6-3-7-16-13(15)8-12-23-16)14-5-4-9-19-17(14)21-10-1-2-11-21/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,20,22)
InChIKeyLHIZYWYWFSROTN-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.08
Rot. Bonds3

About 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (PubChem CID 71898311) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
PubChem CID71898311
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2occc21)c1cccnc1N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-18(20-15-6-3-7-16-13(15)8-12-23-16)14-5-4-9-19-17(14)21-10-1-2-11-21/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,20,22)
InChIKeyLHIZYWYWFSROTN-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (CID 71898311) is 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is O=C(NC1CCCc2occc21)c1cccnc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The InChIKey is LHIZYWYWFSROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(20-15-6-3-7-16-13(15)8-12-23-16)14-5-4-9-19-17(14)21-10-1-2-11-21/h4-5,8-9,12,15H,1-3,6-7,10-11H2,(H,20,22).
What are the key properties of 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71898311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).